5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol

C11H19N3OS — CID 66055373

IUPAC5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol
SMILESCc1nc(CN(C)CC2CC(O)CN2)cs1
InChIInChI=1S/C11H19N3OS/c1-8-13-10(7-16-8)6-14(2)5-9-3-11(15)4-12-9/h7,9,11-12,15H,3-6H2,1-2H3
InChIKeyPNRUESSWYWQRJM-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.61
Rot. Bonds4

About 5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol

5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol (PubChem CID 66055373) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol
PubChem CID66055373
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol
SMILESCc1nc(CN(C)CC2CC(O)CN2)cs1
InChIInChI=1S/C11H19N3OS/c1-8-13-10(7-16-8)6-14(2)5-9-3-11(15)4-12-9/h7,9,11-12,15H,3-6H2,1-2H3
InChIKeyPNRUESSWYWQRJM-UHFFFAOYSA-N
XLogP0.61
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 114430985
4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrrolidin-3-ol
CID 63703954
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiomorpholin-3-ylethanamine
CID 66422771
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973966
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 79315179
N-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]cyclopentan-1-amine
CID 62609444
(3R,5S)-5-[[methyl-[(2-phenyl-1H-imidazol-5-yl)methyl]amino]methyl]pyrrolidin-3-ol
CID 154759749
potassium trifluoro-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]boranuide
CID 63704903
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86812794
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
N-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine
CID 62609265
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603593

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol (CID 66055373) is 5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol is Cc1nc(CN(C)CC2CC(O)CN2)cs1.
What is the InChIKey of 5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol?
The InChIKey is PNRUESSWYWQRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8-13-10(7-16-8)6-14(2)5-9-3-11(15)4-12-9/h7,9,11-12,15H,3-6H2,1-2H3.
What are the key properties of 5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol?
5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol has a molecular weight of 241.36 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66055373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).